Geometry & MOs

Info

ID:	421065
PubChem CID:	135115308
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	387.127107
ΔH_f, kcal/mol:	-184.22
Dipole, Da:	4.56
IP(EA), eV:	-9.03(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(4-chloro-3-ethoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CCC3(CC2)CC(CCO3)(C)O)OC

DOS

IR

Vibrations